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Creating higher basis set orbitals from the lower level basis set orbitals

pejer
fajriah@gmail.com


Dear all.

If I have orbitals with basis set 6-31G(d) for example, and I want to get the new orbitals with basis set 6-31G(d,p), is it possible to get the new ( 6-31G(d,p) ) with upgrading the old ( 6,31G(d) )? Probably it can saving time without calculating the new ( 6-31G(d,p) ) from the very beginning.

Best regards,
Pejer


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